N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine

C18H36N2O — CID 62391845

IUPACN,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
SMILESCCCNCC1(CN(C)C2CCCC(C)C2)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-10-19-14-18(8-11-21-12-9-18)15-20(3)17-7-5-6-16(2)13-17/h16-17,19H,4-15H2,1-3H3
InChIKeyUOUAXEAZIMFXKN-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

About N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine

N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine (PubChem CID 62391845) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
PubChem CID62391845
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
SMILESCCCNCC1(CN(C)C2CCCC(C)C2)CCOCC1
InChIInChI=1S/C18H36N2O/c1-4-10-19-14-18(8-11-21-12-9-18)15-20(3)17-7-5-6-16(2)13-17/h16-17,19H,4-15H2,1-3H3
InChIKeyUOUAXEAZIMFXKN-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62392028
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
N-[[3-[(cyclopropylamino)methyl]oxolan-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62258330
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
4-[[methyl-(3-methylcyclohexyl)amino]methyl]oxan-4-amine
CID 115295410
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63493866
N-ethyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclopentanamine
CID 55052067
N-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-N-methylcyclohexanamine
CID 62392849
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 62256264

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine?
The IUPAC name of N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine (CID 62391845) is N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine is CCCNCC1(CN(C)C2CCCC(C)C2)CCOCC1.
What is the InChIKey of N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine?
The InChIKey is UOUAXEAZIMFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-10-19-14-18(8-11-21-12-9-18)15-20(3)17-7-5-6-16(2)13-17/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine?
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62391845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).